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Chemical ID: 5105771
Chemical ID:
5105771
Name [?]:
None
SMILES [?]:
CC1c2ccccc2C3(CCCC3)CN1C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H25NO/c1-17-19-11-5-6-12-20(19)22(13-7-8-14-22)16-23(17)21(24)15-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,5,6,11,12,20,24,4,7,10,13,18,14,2,19,3,8,16,9,15,17/E:(3,4)(7,8)(9,10)(13,14)/rA:24cCCCCCCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;s9;s2s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3113 |
Area: | 504.498 |
Solvation: | -2.30117 |
Coulombic: | -19.3508 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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